In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 6th, 2010 | 34 | Yes |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 6.06 | 12.37 | -15.85 | 2 | 6 | 0 | 84 | 478.662 | 10 | ↓ |
Hi High (pH 8-9.5) | 6.25 | 10.71 | -46.11 | 1 | 6 | -1 | 90 | 477.654 | 10 | ↓ |